CID 178079184

C30H61NO2SSi — CID 178079184

IUPAC—
SMILESCCCCCCC(CSCCCCCCNCCCCCCCC[Si]CC)OC(=O)CCCCC
InChIInChI=1S/C30H61NO2SSi/c1-4-7-9-17-22-29(33-30(32)23-16-8-5-2)28-34-26-20-14-13-19-25-31-24-18-12-10-11-15-21-27-35-6-3/h29,31H,4-28H2,1-3H3
InChIKeySRZCJEOVZOCBKS-UHFFFAOYSA-N
MW527.98 g/mol
LogP9.23
Rot. Bonds29

About CID 178079184

CID 178079184 (PubChem CID 178079184) has the molecular formula C30H61NO2SSi and a molecular weight of 527.98 g/mol.

Molecular Properties

Compound NameCID 178079184
PubChem CID178079184
Molecular FormulaC30H61NO2SSi
Molecular Weight527.98 g/mol
Exact Mass527.42
IUPAC Name—
SMILESCCCCCCC(CSCCCCCCNCCCCCCCC[Si]CC)OC(=O)CCCCC
InChIInChI=1S/C30H61NO2SSi/c1-4-7-9-17-22-29(33-30(32)23-16-8-5-2)28-34-26-20-14-13-19-25-31-24-18-12-10-11-15-21-27-35-6-3/h29,31H,4-28H2,1-3H3
InChIKeySRZCJEOVZOCBKS-UHFFFAOYSA-N
XLogP9.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.98
LogP ≤ 59.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[14-decanoyloxy-1,15-bis(hexylsulfanyl)-8-hydroxypentadecan-2-yl] decanoate
CID 171487417
tridecan-7-yl 4-(5-pentyldecylamino)butanoate
CID 174176482
1-[6-[4-(dimethylamino)butanoyloxy]-11-(2-octanoyloxyoctylsulfanyl)undecyl]sulfanyloctan-2-yl octanoate
CID 171811980
[8-cyclohexyl-1-[5-[5-(2-propanoyloxyoctylsulfanyl)pentylamino]pentylsulfanyl]octan-2-yl] 3-cyclohexylpropanoate
CID 178079159
heptadecan-9-yl 8-[(6-nonoxy-6-oxohexyl)amino]octanoate
CID 146475325
[(2R)-2-hexadecanoyloxy-3-hexadecylsulfanylpropyl] hexadecanoate
CID 99656182
icosan-10-yl decanoate
CID 152733830
undecan-6-yl octadecanoate
CID 164901581
octacosan-10-yl octadecanoate
CID 158256200
icosan-8-yl dodecanoate
CID 175390267
heptadecan-9-yl hexanoate
CID 163299458
heptadecan-9-yl 8-[3-(methanesulfonamido)propylamino]octanoate
CID 164552008

Frequently Asked Questions

What is the IUPAC name of CID 178079184?
The IUPAC name of CID 178079184 (CID 178079184) is not available.
What is the SMILES notation for CID 178079184?
The canonical SMILES for CID 178079184 is CCCCCCC(CSCCCCCCNCCCCCCCC[Si]CC)OC(=O)CCCCC.
What is the InChIKey of CID 178079184?
The InChIKey is SRZCJEOVZOCBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO2SSi/c1-4-7-9-17-22-29(33-30(32)23-16-8-5-2)28-34-26-20-14-13-19-25-31-24-18-12-10-11-15-21-27-35-6-3/h29,31H,4-28H2,1-3H3.
What are the key properties of CID 178079184?
CID 178079184 has a molecular weight of 527.98 g/mol, XLogP of 9.23, 29 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178079184 is sourced from PubChem (CID 178079184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).